1-[4-(dimethylaminomethyl)phenyl]-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-[4-(dimethylaminomethyl)phenyl]-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-[4-(dimethylaminomethyl)phenyl]-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-[4-(dimethylaminomethyl)phenyl]-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-[4-(dimethylaminomethyl)phenyl]-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-[4-(dimethylaminomethyl)phenyl]-4-keto-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)N2C=C(C(=O)C3=C2C=C(C=C3)N4CCN(CC4)C5=CC=CC=N5)C(=O)O

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)N2C=C(C(=O)C3=C2C=C(C=C3)N4CCN(CC4)C5=CC=CC=N5)C(=O)O

InChI

InChI=1S/C28H29N5O3/c1-30(2)18-20-6-8-21(9-7-20)33-19-24(28(35)36)27(34)23-11-10-22(17-25(23)33)31-13-15-32(16-14-31)26-5-3-4-12-29-26/h3-12,17,19H,13-16,18H2,1-2H3,(H,35,36)